2-Chloro-2,3-dihydro-1H-inden-1-one
Basic information
- CAS
1579-14-2- Standard SMILES
O=C1c2ccccc2CC1Cl- InChIKey
BZGQPEGJOZKLFK-UHFFFAOYSA-N- Molecular formula
- C9H7ClO
- Average molar mass
- 166.6 g/mol
- Monoisotopic mass
- 166.0185425
Names & identifiers
- Preferred name
- 2-Chloro-2,3-dihydro-1H-inden-1-one
- IUPAC
- 2-chloro-2,3-dihydroinden-1-one
- English name
- 1H-Inden-1-one, 2-chloro-2,3-dihydro-
- Molecular formula
- C9H7ClO
- Molecular weight
- 166.6
Names & synonyms
2-chloro-2,3-dihydro-1H-inden-1-one1579-14-2DTXSID00995043RefChem:468550DTXCID901422072969-328-82-CHLOROINDAN-1-ONE2-chloro-2,3-dihydroinden-1-one73908-22-21H-Inden-1-one, 2-chloro-2,3-dihydro-chloroindanoneChlorindanone
Show more names
1H-Inden-1-one, 2-chloro-2,3-dihydro-
SCHEMBL1151054SCHEMBL31083864BAA57914AKOS010997980CS-0222761EN300-112507G49021Z854067258
Database identifiers
- CAS
1579-14-2、73908-22-2- PubChem CID
- 52693
- DTXSID
DTXSID00995043- EC Number
- 969-328-8
- Nikkaji
- J275.906C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 38 · 38-39 °C
- Boiling point
- 278 · 278.0±29.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
2 records
Compound notes
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